a decorator for replicate the atomic distribution More...

#include <AtomDistribution.h>

Inheritance diagram for PLMD::repliedTrajectory:

Public Member Functions
	repliedTrajectory (std::unique_ptr< AtomDistribution > &&d, const unsigned repeatX, const unsigned repeatY, const unsigned repeatZ, const unsigned=1)

void	frame (std::vector< Vector > &posToUpdate, std::vector< double > &box, unsigned step, Random &rng)
	Update the input vectors with the position and the box of the frame.

void	frame (View< Vector > posToUpdate, View< double, 9 > box, unsigned step, Random &rng) override
	Generates the inner trajectory of `(nat)/(rXrYrZ)`, where `nat` is the dimension of the vector view, then it replicate the atoms in the various directions.

bool	overrideNat (unsigned &natoms) override
	See the documentation the AtomDistribution.

Static Public Member Functions
static std::unique_ptr< AtomDistribution >	getAtomDistribution (std::string_view atomicDistr)

Private Attributes
std::unique_ptr< AtomDistribution >	distribution

unsigned	rX =1

unsigned	rY =1

unsigned	rZ =1

Detailed Description

a decorator for replicate the atomic distribution

Constructor & Destructor Documentation

◆ repliedTrajectory()

PLMD::repliedTrajectory::repliedTrajectory	(	std::unique_ptr< AtomDistribution > &&	d,
		const unsigned	repeatX,
		const unsigned	repeatY,
		const unsigned	repeatZ,
		const unsigned	nat = 1 )

Member Function Documentation

◆ frame() [1/2]

void PLMD::AtomDistribution::frame	(	std::vector< Vector > &	posToUpdate,
		std::vector< double > &	box,
		unsigned	step,
		Random &	rng )

inherited

Update the input vectors with the position and the box of the frame.

◆ frame() [2/2]

void PLMD::repliedTrajectory::frame	(	View< Vector >	posToUpdate,
		View< double, 9 >	box,
		unsigned	step,
		Random &	rng )

overridevirtual

Generates the inner trajectory of (nat)/(rX*rY*rZ), where nat is the dimension of the vector view, then it replicate the atoms in the various directions.

Implements PLMD::AtomDistribution.